BDBM50591158 CHEMBL5181728

SMILES COc1cc(Nc2nc(cc3c(n[nH]c23)-c2ccccc2)C#N)cc(OC)c1OC

InChI Key InChIKey=QGDXZJBGCQOZLE-UHFFFAOYSA-N

Data  2 KI  2 IC50  8 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50591158   

TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKi:  4.40nMAssay Description:Binding affinity to wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKi:  9.80nMAssay Description:Binding affinity to wild type A3R (unknown origin) expressed in CHO-K1 cells assessed as equilibrium binding affinity constant by nanoBRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataIC50:  200nMAssay Description:Antagonist activity at wild type A1R (unknown origin) expressed in CHO-K1 cells assessed as inhibition of NECA reduced forskolin stimulated cAMP accu...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  7.90nMAssay Description:Binding affinity to A1R S267 7.32A mutant (unknown origin) in by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  1.70nMAssay Description:Binding affinity to Nluc-A1R (unknown origin) expressed in HEK293 cells by nanoBRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  13nMAssay Description:Binding affinity to wild type A1R (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  23nMAssay Description:Binding affinity to A1R E172 5.30A mutant (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  3.60nMAssay Description:Binding affinity to A1R L250 6.51A mutant (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A1(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  9.30nMAssay Description:Binding affinity to A1R H251 6.52A mutant (unknown origin) by saturation NanoBRET binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  13nMAssay Description:Binding affinity to wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as dissociation constant by by Schild analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataIC50:  76nMAssay Description:Antagonist activity at wild type A3R (unknown origin) expressed in Flp-In-CHO cells assessed as inhibition of NECA reduced forskolin stimulated cAMP ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAdenosine receptor A3(Human)
National and Kapodistrian University of Athens

Curated by ChEMBL
LigandPNGBDBM50591158(CHEMBL5181728)
Affinity DataKd:  10nMAssay Description:Binding affinity to Nluc-A3R (unknown origin) expressed in HEK293 cells by nanoBRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed